1-[5-chloro-2-(1-fluoropropoxy)phenyl]ethanone

C11H12ClFO2 — CID 166156338

IUPAC1-[5-chloro-2-(1-fluoropropoxy)phenyl]ethanone
SMILESCCC(F)Oc1ccc(Cl)cc1C(C)=O
InChIInChI=1S/C11H12ClFO2/c1-3-11(13)15-10-5-4-8(12)6-9(10)7(2)14/h4-6,11H,3H2,1-2H3
InChIKeyLKZHHWKONAJTDR-UHFFFAOYSA-N
MW230.67 g/mol
LogP3.63
Rot. Bonds4

About 1-[5-chloro-2-(1-fluoropropoxy)phenyl]ethanone

1-[5-chloro-2-(1-fluoropropoxy)phenyl]ethanone (PubChem CID 166156338) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is 1-[5-chloro-2-(1-fluoropropoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-chloro-2-(1-fluoropropoxy)phenyl]ethanone
PubChem CID166156338
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name1-[5-chloro-2-(1-fluoropropoxy)phenyl]ethanone
SMILESCCC(F)Oc1ccc(Cl)cc1C(C)=O
InChIInChI=1S/C11H12ClFO2/c1-3-11(13)15-10-5-4-8(12)6-9(10)7(2)14/h4-6,11H,3H2,1-2H3
InChIKeyLKZHHWKONAJTDR-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-chloro-2-(1-fluoropropoxy)phenyl]-2-nitroso-3-oxopropanal
CID 166156336
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2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide
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2-(2-acetyl-4-chlorophenoxy)-N-carbamoylpropanamide
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1-[5-chloro-2-(2-hydroxy-2-methylpropoxy)phenyl]ethanone
CID 62072537
1-[5-chloro-2-[2-(chloromethyl)prop-2-enoxy]phenyl]ethanone
CID 103066099
propan-2-yl 2-(2-acetyl-4-chlorophenoxy)acetate
CID 55021490
1-[5-chloro-2-(2-methylidenebutoxy)phenyl]ethanone
CID 66046437
1-[5-chloro-2-(2-ethylsulfanylethoxy)phenyl]ethanone
CID 115646908
1-[5-chloro-2-(3-ethylsulfanylpropoxy)phenyl]ethanone
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CID 59214926

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(1-fluoropropoxy)phenyl]ethanone?
The IUPAC name of 1-[5-chloro-2-(1-fluoropropoxy)phenyl]ethanone (CID 166156338) is 1-[5-chloro-2-(1-fluoropropoxy)phenyl]ethanone.
What is the SMILES notation for 1-[5-chloro-2-(1-fluoropropoxy)phenyl]ethanone?
The canonical SMILES for 1-[5-chloro-2-(1-fluoropropoxy)phenyl]ethanone is CCC(F)Oc1ccc(Cl)cc1C(C)=O.
What is the InChIKey of 1-[5-chloro-2-(1-fluoropropoxy)phenyl]ethanone?
The InChIKey is LKZHHWKONAJTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c1-3-11(13)15-10-5-4-8(12)6-9(10)7(2)14/h4-6,11H,3H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(1-fluoropropoxy)phenyl]ethanone?
1-[5-chloro-2-(1-fluoropropoxy)phenyl]ethanone has a molecular weight of 230.67 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(1-fluoropropoxy)phenyl]ethanone is sourced from PubChem (CID 166156338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).